#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s LEU 6 N 0.00 1.68 -0.15 -2.67 2.34 -1.26 -4.98 118.68 113.65 2wdl s LEU 6 Ca 0.00 1.79 -0.28 0.00 0.06 0.00 0.00 54.13 55.70 2wdl s LEU 6 Cb 0.00 -3.90 -0.25 0.00 -0.56 0.00 0.00 46.19 41.48 2wdl s LEU 6 CO 0.00 -3.72 0.71 0.03 -1.06 0.00 0.00 176.35 172.30 2wdl h ARG 7 N -2.30 0.00 -6.78 1.48 2.47 -2.09 -3.43 114.38 103.74 2wdl h ARG 7 Ca -0.54 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 57.70 2wdl h ARG 7 Cb 1.31 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2wdl h ARG 7 CO 0.47 0.99 0.36 -1.25 0.56 0.00 0.00 179.97 181.10 2wdl s PRO 8 N -2.23 4.80 0.00 0.04 0.04 -1.26 -4.20 135.00 132.19 2wdl s PRO 8 Ca -0.20 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2wdl s PRO 8 Cb -0.02 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2wdl s PRO 8 CO 0.67 0.46 0.00 -1.71 0.04 0.00 0.00 177.00 176.47 2wdl n ASN 9 N 1.31 0.00 0.00 6.66 5.15 -1.26 -4.88 115.26 122.24 2wdl n ASN 9 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2wdl n ASN 9 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2wdl n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wdl n PRO 10 N 0.00 0.00 -0.65 1.20 -0.04 -1.26 -4.70 135.00 129.55 2wdl n PRO 10 Ca 0.00 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 2wdl n PRO 10 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2wdl n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdl n GLY 11 N -1.19 -1.52 2.60 0.55 0.00 -1.26 -4.64 105.19 99.72 2wdl n GLY 11 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 2wdl n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 12 N -0.64 -1.83 -1.69 4.61 0.00 -1.26 -4.91 120.51 114.79 2wdl n ALA 12 Ca 0.05 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 2wdl n ALA 12 Cb 0.22 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.56 2wdl n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl s ASN 13 N 1.12 2.47 0.00 0.00 6.03 -1.26 -4.76 114.94 118.54 2wdl s ASN 13 Ca 0.70 0.37 0.00 0.00 -1.03 0.00 0.00 52.86 52.90 2wdl s ASN 13 Cb -0.99 -0.46 0.00 0.00 -3.03 0.00 0.00 41.25 36.76 2wdl s ASN 13 CO 0.50 -3.14 0.00 0.29 -2.03 0.00 0.00 177.10 172.72 2wdl n LYS 14 N -4.06 0.00 -3.46 3.55 5.02 -1.26 -4.18 118.16 113.77 2wdl n LYS 14 Ca 0.15 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 2wdl n LYS 14 Cb 0.59 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.49 2wdl n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdl s ARG 15 N 0.00 0.24 0.00 1.97 0.52 -1.26 -4.91 118.95 115.51 2wdl s ARG 15 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 2wdl s ARG 15 Cb 0.00 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.48 2wdl s ARG 15 CO 0.00 -0.78 0.00 2.89 0.02 0.00 0.00 175.30 177.43 2wdl n ARG 16 N 5.32 1.97 -1.93 3.54 -4.01 -1.26 -5.03 116.66 115.25 2wdl n ARG 16 Ca -0.04 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.72 2wdl n ARG 16 Cb 0.48 -0.89 -0.01 0.00 -3.04 0.00 0.00 32.46 29.00 2wdl n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2wdl n LYS 17 N -1.89 -1.86 0.26 2.89 4.81 -1.26 -4.69 118.16 116.41 2wdl n LYS 17 Ca 0.00 0.02 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 2wdl n LYS 17 Cb 0.39 -2.54 0.22 0.00 0.02 0.00 0.00 35.03 33.12 2wdl n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdl h ARG 18 N -0.10 0.00 -5.27 1.64 2.47 -2.04 -3.38 114.38 107.70 2wdl h ARG 18 Ca -0.07 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.25 2wdl h ARG 18 Cb 0.60 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.88 2wdl h ARG 18 CO 0.10 0.00 1.52 1.33 0.56 0.00 0.00 179.97 183.48 2wdl n VAL 19 N -2.69 -0.03 -0.14 2.04 0.24 -1.26 -4.91 118.33 111.57 2wdl n VAL 19 Ca 0.03 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2wdl n VAL 19 Cb 0.95 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2wdl n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdl n GLY 20 N 6.23 -1.05 3.12 7.63 0.00 -1.26 -5.02 105.19 114.83 2wdl n GLY 20 Ca 0.53 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2wdl n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdl s ARG 21 N -0.46 2.01 -0.34 1.61 0.52 -1.26 -5.07 118.95 115.96 2wdl s ARG 21 Ca 0.00 -1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 53.24 2wdl s ARG 21 Cb 0.00 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 2wdl s ARG 21 CO 0.00 -1.03 0.58 0.20 0.02 0.00 0.00 175.30 175.07 2wdl s GLY 22 N 1.74 1.79 -0.73 -3.53 0.00 -1.26 -4.99 107.32 100.33 2wdl s GLY 22 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 2wdl s GLY 22 CO -0.04 1.38 2.02 -1.05 0.00 0.00 0.00 173.10 175.41 2wdl n PRO 23 N 5.87 2.73 -3.98 2.90 -0.02 -1.26 -4.70 135.00 136.54 2wdl n PRO 23 Ca -0.03 -3.40 -0.31 0.00 -2.02 0.00 0.00 63.50 57.74 2wdl n PRO 23 Cb 0.49 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 2wdl n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdl s GLY 24 N -1.57 1.64 0.00 -1.23 0.00 -1.25 -4.45 107.32 100.46 2wdl s GLY 24 Ca 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2wdl s GLY 24 CO -0.17 0.95 0.00 -1.14 0.00 0.00 0.00 173.10 172.74 2wdl n SER 25 N 4.45 0.00 0.09 1.64 3.41 -1.26 -5.02 113.62 116.93 2wdl n SER 25 Ca -0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.65 2wdl n SER 25 Cb 0.42 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.76 2wdl n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdl n GLY 26 N -0.67 -0.95 2.64 5.00 0.00 -1.26 -3.72 105.19 106.22 2wdl n GLY 26 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wdl n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wdl s HIS 27 N -3.26 0.70 0.00 1.61 5.65 -1.26 -4.91 115.29 113.82 2wdl s HIS 27 Ca 0.02 -0.87 0.00 0.00 0.25 0.00 0.00 55.06 54.46 2wdl s HIS 27 Cb 0.07 -1.01 0.00 0.00 -1.18 0.00 0.00 32.58 30.45 2wdl s HIS 27 CO 0.24 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 174.04 2wdl n GLY 28 N 5.14 0.40 3.10 1.59 0.00 -1.26 -4.96 105.19 109.19 2wdl n GLY 28 Ca -0.06 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2wdl n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 29 N 0.00 2.77 0.00 1.61 3.01 -1.26 -4.95 119.74 120.92 2wdl s LYS 29 Ca 0.00 -2.76 0.00 0.00 -1.01 0.00 0.00 55.97 52.20 2wdl s LYS 29 Cb 0.00 -3.79 0.00 0.00 -1.01 0.00 0.00 37.83 33.03 2wdl s LYS 29 CO 0.00 -1.20 0.00 2.41 0.51 0.00 0.00 175.35 177.07 2wdl n THR 30 N 3.13 0.00 0.00 2.17 -1.04 -1.24 -3.76 114.28 113.54 2wdl n THR 30 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2wdl n THR 30 Cb 0.38 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2wdl n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdl n ALA 31 N -3.00 0.00 0.18 2.41 0.00 -1.26 0.18 120.51 119.02 2wdl n ALA 31 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wdl n ALA 31 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 2wdl n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wdl h THR 32 N 0.00 1.26 -1.09 0.00 1.35 -1.91 -3.49 112.91 109.03 2wdl h THR 32 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2wdl h THR 32 Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2wdl h THR 32 CO 0.00 0.38 0.00 -1.14 -0.25 0.00 0.00 175.52 174.51 2wdl n ARG 33 N -4.06 0.00 0.00 4.72 3.00 0.47 -4.68 116.66 116.12 2wdl n ARG 33 Ca -0.02 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 2wdl n ARG 33 Cb 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.60 2wdl n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdl n GLY 34 N 1.36 0.00 0.00 5.14 0.00 -1.26 -4.10 105.19 106.32 2wdl n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdl n HIS 35 N 0.00 0.00 -2.94 1.61 8.25 -1.26 -5.14 115.22 115.74 2wdl n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdl n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdl n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdl n LYS 36 N -1.01 0.00 0.00 -0.41 5.02 -1.26 -4.76 118.16 115.74 2wdl n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdl n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdl n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdl n GLY 37 N -0.26 1.30 0.00 0.72 0.00 -1.26 -4.95 105.19 100.73 2wdl n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLN 38 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.13 117.38 123.24 2wdl n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wdl n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2wdl n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wdl n LYS 39 N 0.00 0.00 -1.75 2.61 4.76 -1.26 -4.99 118.16 117.53 2wdl n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdl n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wdl n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wdl n SER 40 N 0.00 -1.32 -2.92 4.39 2.88 -1.26 -4.96 113.62 110.42 2wdl n SER 40 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2wdl n SER 40 Cb 0.00 -0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 2wdl n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wdl n ARG 41 N -0.47 0.54 -2.68 -1.46 5.12 -1.26 -4.83 116.66 111.62 2wdl n ARG 41 Ca 0.00 -2.31 -0.05 0.00 -1.93 0.00 0.00 57.85 53.57 2wdl n ARG 41 Cb 0.36 -1.48 0.07 0.00 -1.16 0.00 0.00 32.46 30.24 2wdl n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wdl n SER 42 N 2.47 -1.58 -2.46 0.55 3.41 -1.26 -4.86 113.62 109.90 2wdl n SER 42 Ca 0.19 -1.91 -0.09 0.00 -0.26 0.00 0.00 58.87 56.79 2wdl n SER 42 Cb 0.56 0.89 0.04 0.00 -0.26 0.00 0.00 64.21 65.44 2wdl n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdl n GLY 43 N 1.69 -0.18 0.00 5.00 0.00 -1.26 -4.98 105.19 105.45 2wdl n GLY 43 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2wdl n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 44 N -1.25 3.10 3.62 -0.02 0.00 -1.26 -5.14 105.19 104.24 2wdl n GLY 44 Ca -0.08 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 2wdl n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdl s LEU 45 N 0.00 -0.73 0.15 0.99 0.20 -1.26 -4.51 118.68 113.52 2wdl s LEU 45 Ca 0.00 1.44 -0.12 0.00 0.69 0.00 0.00 54.13 56.14 2wdl s LEU 45 Cb 0.00 2.45 0.16 0.00 -0.43 0.00 0.00 46.19 48.37 2wdl s LEU 45 CO 0.00 -0.25 1.02 1.17 -0.29 0.00 0.00 176.35 177.99 2wdl n LYS 46 N 2.68 -0.15 0.00 1.98 3.00 -1.26 -4.87 118.16 119.53 2wdl n LYS 46 Ca -0.14 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 2wdl n LYS 46 Cb 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.09 2wdl n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wdl n ASP 47 N -4.96 0.00 -0.01 3.14 -0.08 -1.26 -4.95 116.55 108.42 2wdl n ASP 47 Ca 0.07 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.33 2wdl n ASP 47 Cb 0.26 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.72 2wdl n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2wdl n PRO 48 N 0.00 0.08 0.00 -0.67 -0.04 -1.26 -5.06 135.00 128.05 2wdl n PRO 48 Ca 0.00 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2wdl n PRO 48 Cb 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2wdl n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdl n ARG 49 N -2.76 0.00 -0.03 0.54 1.74 -1.26 0.14 116.66 115.03 2wdl n ARG 49 Ca -0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 2wdl n ARG 49 Cb 0.07 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.38 2wdl n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2wdl n ARG 50 N 0.00 0.65 -1.90 5.56 1.85 -1.26 -5.01 116.66 116.55 2wdl n ARG 50 Ca 0.00 0.14 -0.29 0.00 -1.00 0.00 0.00 57.85 56.70 2wdl n ARG 50 Cb 0.00 -1.69 0.08 0.00 -1.05 0.00 0.00 32.46 29.80 2wdl n ARG 50 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2wdl s PHE 51 N -2.71 3.04 0.26 2.89 0.08 0.37 -4.71 117.98 117.20 2wdl s PHE 51 Ca -0.06 0.82 0.00 0.00 0.12 0.00 0.00 56.93 57.80 2wdl s PHE 51 Cb 0.08 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 2wdl s PHE 51 CO 0.83 -1.63 0.00 0.39 -0.10 0.00 0.00 175.22 174.71 2wdl n GLU 52 N -3.24 -1.75 0.00 0.44 -0.58 -1.26 -4.76 120.64 109.50 2wdl n GLU 52 Ca 0.08 1.29 0.00 0.00 -0.42 0.00 0.00 57.16 58.10 2wdl n GLU 52 Cb 0.60 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 2wdl n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdl n GLY 53 N -3.20 3.88 0.00 0.62 0.00 -1.26 -4.46 105.19 100.78 2wdl n GLY 53 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2wdl n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 54 N 0.00 1.01 0.00 -0.02 0.00 -1.26 -5.04 105.19 99.88 2wdl n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdl n ARG 55 N -1.97 0.00 -2.71 1.61 0.63 -1.26 -4.99 116.66 107.97 2wdl n ARG 55 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2wdl n ARG 55 Cb 0.00 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.00 2wdl n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2wdl n SER 56 N 0.00 -0.45 0.00 6.15 7.64 -1.26 -5.10 113.62 120.61 2wdl n SER 56 Ca 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2wdl n SER 56 Cb 0.00 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2wdl n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wdl n THR 57 N -0.86 0.00 -1.85 0.44 -2.24 -1.26 -2.77 114.28 105.74 2wdl n THR 57 Ca -0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 2wdl n THR 57 Cb 0.84 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 2wdl n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wdl n THR 58 N 0.00 0.00 1.31 4.28 -1.04 -1.26 -4.91 114.28 112.65 2wdl n THR 58 Ca 0.00 -0.05 0.13 0.00 -2.04 0.00 0.00 64.05 62.09 2wdl n THR 58 Cb 0.00 0.31 0.48 0.00 -1.82 0.00 0.00 70.33 69.31 2wdl n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wdl n LEU 59 N -0.08 0.74 -0.34 -4.42 0.00 -1.12 -4.04 117.00 107.75 2wdl n LEU 59 Ca -0.14 -0.12 0.12 0.00 0.00 0.00 0.00 56.01 55.86 2wdl n LEU 59 Cb 0.51 -0.16 0.30 0.00 0.00 0.00 0.00 43.42 44.07 2wdl n LEU 59 CO -0.08 0.14 1.18 0.24 0.00 0.00 0.00 177.39 178.87 2wdl h MET 60 N 0.87 0.72 -6.20 1.96 2.86 -1.92 -3.41 114.93 109.82 2wdl h MET 60 Ca 0.00 -0.04 -0.68 0.00 -2.06 0.00 0.00 59.70 56.91 2wdl h MET 60 Cb 0.44 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 31.95 2wdl h MET 60 CO 0.00 0.48 1.00 2.89 1.06 0.00 0.00 176.91 182.34 2wdl n ARG 61 N -4.78 1.61 -1.95 1.72 -4.01 -1.26 -4.94 116.66 103.05 2wdl n ARG 61 Ca 0.22 0.59 -0.32 0.00 -1.04 0.00 0.00 57.85 57.30 2wdl n ARG 61 Cb 0.54 -2.35 0.01 0.00 -3.04 0.00 0.00 32.46 27.62 2wdl n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 2wdl s LEU 62 N 3.84 3.35 -1.11 2.89 2.34 -1.26 -5.02 118.68 123.70 2wdl s LEU 62 Ca 0.96 1.58 -0.07 0.00 0.06 0.00 0.00 54.13 56.67 2wdl s LEU 62 Cb -0.90 -4.50 0.29 0.00 -0.56 0.00 0.00 46.19 40.52 2wdl s LEU 62 CO 0.60 -1.00 1.35 -0.81 -1.06 0.00 0.00 176.35 175.43 2wdl n PRO 63 N -2.43 4.03 0.00 1.48 -0.04 -1.26 -4.84 135.00 131.94 2wdl n PRO 63 Ca 0.07 -4.45 0.03 0.00 -0.04 0.00 0.00 63.50 59.11 2wdl n PRO 63 Cb 0.54 -2.56 0.17 0.00 -0.04 0.00 0.00 33.50 31.60 2wdl n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wdl n LYS 64 N 2.14 0.19 -0.89 0.54 0.00 -1.26 -3.79 118.16 115.08 2wdl n LYS 64 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.30 2wdl n LYS 64 Cb 0.36 -1.47 -0.02 0.00 0.00 0.00 0.00 35.03 33.90 2wdl n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdl n ARG 65 N -0.97 2.29 -0.91 1.64 0.63 -1.26 -4.89 116.66 113.19 2wdl n ARG 65 Ca 0.04 -1.64 -0.29 0.00 -0.92 0.00 0.00 57.85 55.04 2wdl n ARG 65 Cb 0.02 -2.57 0.23 0.00 0.45 0.00 0.00 32.46 30.59 2wdl n ARG 65 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wdl s GLY 66 N 3.38 1.54 -0.06 5.14 0.00 -1.25 -4.67 107.32 111.41 2wdl s GLY 66 Ca 0.46 -0.65 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 2wdl s GLY 66 CO -0.02 0.16 0.01 -0.13 0.00 0.00 0.00 173.10 173.11 2wdl n MET 67 N -4.78 -0.67 0.00 2.90 0.00 -1.26 -5.04 117.12 108.27 2wdl n MET 67 Ca 0.09 0.94 0.00 0.00 -0.00 0.00 0.00 57.70 58.73 2wdl n MET 67 Cb 0.58 -1.89 0.00 0.00 0.00 0.00 0.00 33.22 31.91 2wdl n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wdl n GLN 68 N 0.09 4.66 0.00 2.12 6.02 -1.26 -5.12 117.38 123.89 2wdl n GLN 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wdl n GLN 68 Cb 0.01 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 30.86 2wdl n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdl n GLY 69 N 0.82 3.43 3.83 1.08 0.00 -1.26 -5.09 105.19 107.99 2wdl n GLY 69 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2wdl n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdl s GLN 70 N -4.90 3.18 0.23 1.61 2.00 -1.26 -4.95 119.66 115.56 2wdl s GLN 70 Ca 0.00 0.97 -0.09 0.00 -2.00 0.00 0.00 55.36 54.24 2wdl s GLN 70 Cb 0.00 -2.02 0.37 0.00 0.80 0.00 0.00 33.01 32.16 2wdl s GLN 70 CO 0.00 -0.91 1.66 -0.24 -0.50 0.00 0.00 175.29 175.30 2wdl h VAL 71 N -0.33 0.45 -0.74 1.34 3.04 -2.04 -2.58 116.25 115.39 2wdl h VAL 71 Ca -0.45 -0.05 0.17 0.00 -1.01 0.00 0.00 66.70 65.36 2wdl h VAL 71 Cb 1.21 0.30 -0.13 0.00 -2.01 0.00 0.00 31.29 30.66 2wdl h VAL 71 CO 0.58 0.03 0.01 -0.65 -1.01 0.00 0.00 177.57 176.53 2wdl h PRO 72 N 0.14 0.11 0.00 4.17 0.11 -2.05 -3.47 132.00 131.01 2wdl h PRO 72 Ca 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2wdl h PRO 72 Cb 0.61 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wdl h PRO 72 CO -0.56 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 177.71 2wdl n GLY 73 N -1.41 0.20 3.90 -0.55 0.00 -0.98 -5.10 105.19 101.25 2wdl n GLY 73 Ca 0.13 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2wdl n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wdl s GLU 74 N -2.00 3.67 -0.32 1.61 -1.05 -1.26 -4.28 118.70 115.07 2wdl s GLU 74 Ca 0.00 0.16 -0.20 0.00 -0.15 0.00 0.00 54.97 54.78 2wdl s GLU 74 Cb 0.00 -2.55 -0.01 0.00 -0.44 0.00 0.00 34.13 31.14 2wdl s GLU 74 CO 0.00 0.11 0.63 0.42 0.95 0.00 0.00 175.26 177.37 2wdl s ILE 75 N -2.21 4.92 -0.67 1.83 1.09 -1.26 -4.98 121.20 119.91 2wdl s ILE 75 Ca 0.46 0.77 -0.25 0.00 -1.10 0.00 0.00 60.65 60.53 2wdl s ILE 75 Cb -0.10 -4.03 -0.12 0.00 -1.06 0.00 0.00 42.46 37.14 2wdl s ILE 75 CO 0.31 -0.20 2.43 1.17 -0.10 0.00 0.00 174.94 178.55 2wdl n LYS 76 N 5.94 0.72 -4.31 2.79 3.00 -1.26 -4.92 118.16 120.12 2wdl n LYS 76 Ca -0.01 -0.27 -0.19 0.00 -0.00 0.00 0.00 58.31 57.84 2wdl n LYS 76 Cb 0.49 -3.17 -0.13 0.00 0.00 0.00 0.00 35.03 32.21 2wdl n LYS 76 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2wdl s ARG 77 N 8.49 0.85 -0.40 1.64 1.70 -1.26 -5.10 118.95 124.86 2wdl s ARG 77 Ca 1.03 -0.69 -0.28 0.00 -0.47 0.00 0.00 55.73 55.31 2wdl s ARG 77 Cb -0.32 -0.82 -0.08 0.00 -0.57 0.00 0.00 34.95 33.16 2wdl s ARG 77 CO 0.25 0.20 2.33 -0.35 -1.08 0.00 0.00 175.30 176.65 2wdl n PRO 78 N 1.99 1.31 -3.19 3.89 -0.04 -1.26 -4.99 135.00 132.71 2wdl n PRO 78 Ca -0.18 0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 63.15 2wdl n PRO 78 Cb 0.55 -3.11 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 2wdl n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wdl s ARG 79 N 7.33 4.20 0.33 0.54 1.70 -1.26 -5.03 118.95 126.76 2wdl s ARG 79 Ca 1.03 0.77 0.07 0.00 -0.47 0.00 0.00 55.73 57.13 2wdl s ARG 79 Cb -0.40 -2.99 -0.02 0.00 -0.57 0.00 0.00 34.95 30.96 2wdl s ARG 79 CO 0.34 0.48 0.35 0.71 -1.08 0.00 0.00 175.30 176.10 2wdl s TYR 80 N -1.40 2.99 -0.23 5.89 2.02 -1.26 -3.76 117.35 121.59 2wdl s TYR 80 Ca 0.38 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2wdl s TYR 80 Cb -0.17 -1.86 0.08 0.00 -0.40 0.00 0.00 41.96 39.61 2wdl s TYR 80 CO 0.21 0.13 0.07 -1.14 -1.57 0.00 0.00 175.55 173.24 2wdl s GLN 81 N -4.05 0.56 1.12 -0.62 2.00 -0.26 -4.97 119.66 113.43 2wdl s GLN 81 Ca 0.42 -0.57 -0.13 0.00 -2.00 0.00 0.00 55.36 53.08 2wdl s GLN 81 Cb -0.07 -1.93 0.26 0.00 0.80 0.00 0.00 33.01 32.07 2wdl s GLN 81 CO 0.28 -0.78 1.05 0.20 -0.50 0.00 0.00 175.29 175.53 2wdl s GLY 82 N 1.85 1.55 -0.30 2.59 0.00 -1.26 -1.85 107.32 109.91 2wdl s GLY 82 Ca 0.03 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 2wdl s GLY 82 CO -0.16 0.53 1.06 0.54 0.00 0.00 0.00 173.10 175.06 2wdl s VAL 83 N -2.58 -0.28 0.64 1.40 0.11 -0.93 -4.81 120.40 113.96 2wdl s VAL 83 Ca 0.68 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.55 2wdl s VAL 83 Cb -0.23 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2wdl s VAL 83 CO 0.63 0.00 0.98 0.59 -3.33 0.00 0.00 175.10 173.97 2wdl n ASN 84 N 5.31 0.73 0.24 3.54 3.02 -1.00 -2.26 115.26 124.84 2wdl n ASN 84 Ca 0.00 0.76 0.13 0.00 -0.03 0.00 0.00 54.58 55.45 2wdl n ASN 84 Cb 0.56 -1.40 0.47 0.00 -0.61 0.00 0.00 39.78 38.80 2wdl n ASN 84 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 2wdl h LEU 85 N 0.26 0.00 0.00 3.41 -0.00 -1.66 -2.21 115.31 115.12 2wdl h LEU 85 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2wdl h LEU 85 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 2wdl h LEU 85 CO 0.50 0.09 0.00 1.17 -0.00 0.00 0.00 178.44 180.20 2wdl n LYS 86 N -3.18 0.00 -0.01 0.17 4.81 -0.60 -0.01 118.16 119.34 2wdl n LYS 86 Ca 0.01 0.46 0.10 0.00 -0.87 0.00 0.00 58.31 58.01 2wdl n LYS 86 Cb 0.41 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.82 2wdl n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wdl n ASP 87 N -1.48 0.60 0.08 3.14 8.00 -0.83 -4.26 116.55 121.80 2wdl n ASP 87 Ca 0.00 -0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.38 2wdl n ASP 87 Cb 0.01 1.67 0.33 0.00 -0.02 0.00 0.00 41.12 43.11 2wdl n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wdl n LEU 88 N -1.99 0.72 -0.17 0.64 4.32 0.99 -4.10 117.00 117.40 2wdl n LEU 88 Ca -0.02 0.43 -0.05 0.00 -0.02 0.00 0.00 56.01 56.35 2wdl n LEU 88 Cb 0.46 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.99 2wdl n LEU 88 CO 0.41 -0.12 0.66 0.00 -1.22 0.00 0.00 177.39 177.12 2wdl h ALA 89 N 2.56 0.02 -0.90 -1.18 0.00 -1.69 -2.77 119.26 115.31 2wdl h ALA 89 Ca 0.00 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2wdl h ALA 89 Cb 0.72 0.68 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 2wdl h ALA 89 CO 0.00 -0.63 -0.32 2.89 0.00 0.00 0.00 179.25 181.19 2wdl n ARG 90 N -5.43 -0.18 -4.06 0.00 0.00 -1.26 -4.50 116.66 101.24 2wdl n ARG 90 Ca 0.04 1.38 -0.27 0.00 -0.00 0.00 0.00 57.85 59.01 2wdl n ARG 90 Cb 0.34 -2.06 -0.05 0.00 -0.00 0.00 0.00 32.46 30.70 2wdl n ARG 90 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2wdl s PHE 91 N -5.92 3.21 0.00 2.89 -0.12 -1.04 -5.12 117.98 111.88 2wdl s PHE 91 Ca -0.13 0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 2wdl s PHE 91 Cb 0.20 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 41.04 2wdl s PHE 91 CO 0.65 0.52 0.00 0.39 -0.05 0.00 0.00 175.22 176.73 2wdl n GLU 92 N -0.31 3.60 0.00 1.99 1.02 -1.26 -4.96 120.64 120.72 2wdl n GLU 92 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2wdl n GLU 92 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 2wdl n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdl n GLY 93 N 5.00 -0.32 3.74 0.62 0.00 -1.26 -4.64 105.19 108.32 2wdl n GLY 93 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2wdl n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdl s GLU 94 N 0.00 4.45 -0.18 1.61 2.12 -1.26 -4.44 118.70 120.99 2wdl s GLU 94 Ca 0.00 1.96 -0.00 0.00 0.36 0.00 0.00 54.97 57.28 2wdl s GLU 94 Cb 0.00 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.18 2wdl s GLU 94 CO 0.00 -0.16 -0.15 0.14 -0.54 0.00 0.00 175.26 174.55 2wdl s VAL 95 N -0.02 2.49 0.20 3.70 -7.23 -0.72 -5.01 120.40 113.80 2wdl s VAL 95 Ca 0.54 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 60.00 2wdl s VAL 95 Cb -0.34 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2wdl s VAL 95 CO 0.38 0.51 -0.16 0.42 -0.31 0.00 0.00 175.10 175.93 2wdl s THR 96 N 1.24 1.83 1.38 5.32 -4.23 -1.26 -1.08 115.64 118.84 2wdl s THR 96 Ca 0.03 -2.11 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 2wdl s THR 96 Cb -0.14 -1.98 0.35 0.00 1.34 0.00 0.00 72.50 72.07 2wdl s THR 96 CO -0.08 -0.47 0.78 -2.65 -0.54 0.00 0.00 174.62 171.67 2wdl n PRO 97 N -0.13 -4.31 0.00 3.99 -0.02 -1.26 -1.91 135.00 131.36 2wdl n PRO 97 Ca -0.10 -1.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.07 2wdl n PRO 97 Cb 0.59 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2wdl n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdl n GLU 98 N -5.05 0.00 0.04 -0.52 -0.00 -1.26 -4.13 120.64 109.72 2wdl n GLU 98 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.16 2wdl n GLU 98 Cb 0.54 -2.59 -0.14 0.00 -0.00 0.00 0.00 31.44 29.26 2wdl n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2wdl h LEU 99 N 0.00 0.17 -0.60 -1.84 6.46 -1.75 -2.45 115.31 115.30 2wdl h LEU 99 Ca 0.00 -0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.38 2wdl h LEU 99 Cb 0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2wdl h LEU 99 CO 0.00 1.22 -0.57 -0.07 -0.62 0.00 0.00 178.44 178.39 2wdl h LEU 100 N 0.03 0.00 -0.00 2.25 -0.00 -1.67 -3.21 115.31 112.71 2wdl h LEU 100 Ca -0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.53 2wdl h LEU 100 Cb 1.95 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.62 2wdl h LEU 100 CO 0.13 0.57 -0.56 -0.37 -0.00 0.00 0.00 178.44 178.21 2wdl h VAL 101 N 0.00 1.44 0.00 1.22 -1.51 -1.56 -2.93 116.25 112.90 2wdl h VAL 101 Ca -0.01 -2.06 -0.09 0.00 -1.23 0.00 0.00 66.70 63.31 2wdl h VAL 101 Cb 1.17 2.60 -0.03 0.00 -2.13 0.00 0.00 31.29 32.90 2wdl h VAL 101 CO 0.07 0.60 -0.03 -1.14 -1.23 0.00 0.00 177.57 175.84 2wdl n ARG 102 N -4.25 1.09 0.00 5.19 0.63 -0.93 -4.54 116.66 113.86 2wdl n ARG 102 Ca -0.10 -0.49 0.00 0.00 -0.92 0.00 0.00 57.85 56.34 2wdl n ARG 102 Cb 0.65 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2wdl n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdl n ALA 103 N 2.52 0.00 -0.52 5.13 0.00 -1.18 -4.96 120.51 121.50 2wdl n ALA 103 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wdl n ALA 103 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wdl n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 104 N 0.00 0.00 0.00 0.00 0.00 -1.12 -4.90 105.19 99.17 2wdl n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdl n LEU 105 N 0.00 0.00 0.00 0.99 4.32 -1.22 -4.87 117.00 116.22 2wdl n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wdl n LEU 105 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wdl n LEU 105 CO 0.00 -0.15 0.00 -0.11 -1.22 0.00 0.00 177.39 175.91 2wdl n LEU 106 N 0.00 0.00 -2.55 2.23 7.94 -1.26 -3.23 117.00 120.13 2wdl n LEU 106 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wdl n LEU 106 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wdl n LEU 106 CO 0.00 0.00 -0.03 2.29 -1.11 0.00 0.00 177.39 178.54 2wdl n LYS 107 N 0.00 -0.87 -0.05 1.96 2.85 -1.26 -2.54 118.16 118.25 2wdl n LYS 107 Ca 0.00 0.78 0.00 0.00 -1.05 0.00 0.00 58.31 58.04 2wdl n LYS 107 Cb 0.00 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2wdl n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdl n LYS 108 N 2.25 0.00 0.00 -1.58 4.01 -1.26 -4.56 118.16 117.02 2wdl n LYS 108 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2wdl n LYS 108 Cb 0.02 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 2wdl n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdl n GLY 109 N 0.56 0.00 1.49 0.72 0.00 -1.05 -4.89 105.19 102.02 2wdl n GLY 109 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2wdl n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdl n TYR 110 N -0.86 -4.03 -0.62 1.61 9.36 -1.26 -4.54 117.16 116.81 2wdl n TYR 110 Ca 0.00 2.22 0.00 0.00 3.32 0.00 0.00 57.90 63.44 2wdl n TYR 110 Cb 0.00 -3.58 0.00 0.00 -0.63 0.00 0.00 39.34 35.13 2wdl n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdl n ARG 111 N -3.87 0.00 -3.22 2.98 1.74 -1.25 -3.78 116.66 109.27 2wdl n ARG 111 Ca -0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 2wdl n ARG 111 Cb 0.63 -0.18 -0.07 0.00 -1.02 0.00 0.00 32.46 31.83 2wdl n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wdl s LEU 112 N 0.00 4.08 -0.39 0.55 1.98 -1.26 -1.11 118.68 122.53 2wdl s LEU 112 Ca 0.00 0.60 -0.00 0.00 -2.89 0.00 0.00 54.13 51.83 2wdl s LEU 112 Cb 0.00 -2.71 0.11 0.00 0.66 0.00 0.00 46.19 44.25 2wdl s LEU 112 CO 0.00 -0.27 0.16 -0.75 -1.89 0.00 0.00 176.35 173.60 2wdl s LYS 113 N 2.14 1.83 0.11 1.98 2.20 -0.77 -0.30 119.74 126.93 2wdl s LYS 113 Ca 0.23 -1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 53.69 2wdl s LYS 113 Cb -0.16 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.65 2wdl s LYS 113 CO 0.09 -1.03 0.90 -1.50 -0.36 0.00 0.00 175.35 173.45 2wdl s ILE 114 N 1.03 4.52 0.00 5.43 1.10 -0.09 -2.18 121.20 131.01 2wdl s ILE 114 Ca 0.09 1.94 0.00 0.00 -0.51 0.00 0.00 60.65 62.18 2wdl s ILE 114 Cb -0.21 -4.26 0.00 0.00 0.15 0.00 0.00 42.46 38.13 2wdl s ILE 114 CO -0.05 0.35 0.00 0.00 -2.11 0.00 0.00 174.94 173.13 2wdl n LEU 115 N 2.64 0.00 0.00 8.50 -0.00 -0.96 -3.22 117.00 123.97 2wdl n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wdl n LEU 115 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2wdl n LEU 115 CO 0.50 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.50 2wdl n GLY 116 N -0.03 0.30 2.96 1.47 0.00 -1.26 -2.36 105.19 106.26 2wdl n GLY 116 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 2wdl n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdl n GLU 117 N 0.00 0.60 -1.14 1.61 1.02 -1.26 -4.73 120.64 116.74 2wdl n GLU 117 Ca 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 2wdl n GLU 117 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 2wdl n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdl n GLY 118 N -0.42 -4.39 3.36 0.62 0.00 -1.26 -1.56 105.19 101.54 2wdl n GLY 118 Ca 0.12 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2wdl n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdl n GLU 119 N 0.23 -0.14 -0.00 1.61 -0.58 -1.26 -4.20 120.64 116.30 2wdl n GLU 119 Ca 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdl n GLU 119 Cb 0.00 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 2wdl n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdl n ALA 120 N -3.21 0.00 -3.64 0.62 0.00 -1.26 -4.62 120.51 108.40 2wdl n ALA 120 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 2wdl n ALA 120 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2wdl n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdl s LYS 121 N 0.58 0.66 -0.64 0.00 1.02 -1.26 -5.07 119.74 115.03 2wdl s LYS 121 Ca 0.00 1.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 2wdl s LYS 121 Cb 0.00 0.13 -0.12 0.00 -0.52 0.00 0.00 37.83 37.33 2wdl s LYS 121 CO 0.00 -0.15 2.44 -2.30 -0.92 0.00 0.00 175.35 174.42 2wdl n PRO 122 N 4.17 0.76 -3.64 -1.68 -0.02 -1.26 -4.62 135.00 128.70 2wdl n PRO 122 Ca -0.20 -0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.02 2wdl n PRO 122 Cb 0.58 -3.18 -0.07 0.00 -0.02 0.00 0.00 33.50 30.81 2wdl n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2wdl s LEU 123 N 11.98 -0.39 0.34 2.45 0.05 -1.26 -4.87 118.68 126.98 2wdl s LEU 123 Ca 1.03 0.70 -0.28 0.00 0.05 0.00 0.00 54.13 55.63 2wdl s LEU 123 Cb -0.32 1.68 -0.12 0.00 -2.05 0.00 0.00 46.19 45.38 2wdl s LEU 123 CO 0.26 -0.12 1.32 1.17 -0.55 0.00 0.00 176.35 178.43 2wdl n LYS 124 N 2.64 2.19 -3.58 1.48 3.00 -1.26 -3.82 118.16 118.81 2wdl n LYS 124 Ca -0.14 0.77 -0.12 0.00 -0.00 0.00 0.00 58.31 58.82 2wdl n LYS 124 Cb 0.57 -2.37 -0.11 0.00 0.00 0.00 0.00 35.03 33.11 2wdl n LYS 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wdl s VAL 125 N -1.05 -0.49 0.40 3.15 0.11 -1.26 -1.76 120.40 119.49 2wdl s VAL 125 Ca 0.56 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.72 2wdl s VAL 125 Cb -0.56 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2wdl s VAL 125 CO 0.62 0.02 0.66 -0.69 -3.33 0.00 0.00 175.10 172.38 2wdl s VAL 126 N 2.48 5.01 -0.02 2.04 1.01 -0.24 -3.60 120.40 127.07 2wdl s VAL 126 Ca 0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 2wdl s VAL 126 Cb -0.13 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2wdl s VAL 126 CO -0.11 -0.66 0.52 0.00 0.00 0.00 0.00 175.10 174.85 2wdl n ALA 127 N -1.90 -1.49 0.16 5.51 0.00 -0.41 -4.46 120.51 117.92 2wdl n ALA 127 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.16 2wdl n ALA 127 Cb 0.55 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2wdl n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wdl n HIS 128 N -0.38 0.00 -3.60 0.00 8.25 0.59 -4.21 115.22 115.87 2wdl n HIS 128 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 2wdl n HIS 128 Cb 0.23 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 2wdl n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdl s ALA 129 N -2.44 -1.99 -0.01 -1.41 0.00 -1.12 -4.72 121.76 110.07 2wdl s ALA 129 Ca -0.01 1.68 0.03 0.00 0.00 0.00 0.00 51.96 53.66 2wdl s ALA 129 Cb 0.07 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 2wdl s ALA 129 CO 0.42 -0.28 -0.09 -0.06 0.00 0.00 0.00 175.76 175.74 2wdl s PHE 130 N -0.95 0.86 0.57 0.00 2.99 -1.25 -0.91 117.98 119.29 2wdl s PHE 130 Ca 0.01 -0.17 -0.17 0.00 0.00 0.00 0.00 56.93 56.60 2wdl s PHE 130 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 43.02 42.40 2wdl s PHE 130 CO -0.02 -0.03 1.07 -1.54 -0.00 0.00 0.00 175.22 174.70 2wdl s SER 131 N -0.11 5.78 0.17 1.36 1.04 -1.20 -4.78 113.70 115.95 2wdl s SER 131 Ca 0.02 1.93 -0.25 0.00 0.48 0.00 0.00 55.95 58.12 2wdl s SER 131 Cb -0.05 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.57 2wdl s SER 131 CO -0.00 -1.17 1.57 0.11 0.98 0.00 0.00 173.24 174.72 2wdl h LYS 132 N 0.72 -0.20 -0.92 4.02 1.57 -2.00 0.34 116.57 120.09 2wdl h LYS 132 Ca -0.48 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.47 2wdl h LYS 132 Cb 1.23 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 2wdl h LYS 132 CO 0.57 -0.13 0.59 1.03 -0.57 0.00 0.00 179.45 180.94 2wdl h SER 133 N -0.21 0.68 -0.36 0.86 0.87 -1.97 -2.50 113.55 110.92 2wdl h SER 133 Ca 0.19 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2wdl h SER 133 Cb 0.56 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2wdl h SER 133 CO -0.71 0.32 -0.14 0.00 -0.53 0.00 0.00 176.83 175.78 2wdl h ALA 134 N 1.60 0.51 0.00 6.23 0.00 -0.67 -2.23 119.26 124.70 2wdl h ALA 134 Ca 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wdl h ALA 134 Cb 0.77 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wdl h ALA 134 CO -0.23 0.41 -0.14 1.25 0.00 0.00 0.00 179.25 180.53 2wdl h LEU 135 N 0.53 0.00 0.09 0.00 7.12 -0.81 -2.01 115.31 120.23 2wdl h LEU 135 Ca 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 2wdl h LEU 135 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 2wdl h LEU 135 CO 0.05 0.14 -0.05 -0.33 -0.13 0.00 0.00 178.44 178.12 2wdl h GLU 136 N 0.00 -0.12 -0.30 1.25 5.08 -1.30 0.15 114.58 119.34 2wdl h GLU 136 Ca -0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2wdl h GLU 136 Cb 0.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2wdl h GLU 136 CO 0.02 0.40 0.28 0.87 -1.00 0.00 0.00 179.01 179.58 2wdl h LYS 137 N -0.80 0.00 0.00 2.33 1.57 -1.25 0.57 116.57 118.99 2wdl h LYS 137 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2wdl h LYS 137 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2wdl h LYS 137 CO 0.02 0.00 -0.88 1.25 -0.57 0.00 0.00 179.45 179.27 2wdl h LEU 138 N 0.00 0.00 -0.88 2.94 5.85 -1.30 -3.33 115.31 118.59 2wdl h LEU 138 Ca 0.14 0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.10 2wdl h LEU 138 Cb 0.71 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 2wdl h LEU 138 CO -0.00 0.31 0.20 0.50 -0.34 0.00 0.00 178.44 179.11 2wdl h LYS 139 N 0.00 0.17 -2.57 1.25 1.63 0.23 -1.20 116.57 116.07 2wdl h LYS 139 Ca -0.06 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2wdl h LYS 139 Cb 1.28 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2wdl h LYS 139 CO 0.03 0.11 0.24 0.00 -3.45 0.00 0.00 179.45 176.39 2wdl n ALA 140 N -2.76 1.86 0.00 5.00 0.00 -1.24 -4.62 120.51 118.76 2wdl n ALA 140 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2wdl n ALA 140 Cb 0.69 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2wdl n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdl n ALA 141 N 2.60 -0.65 0.00 0.00 0.00 -0.45 -4.58 120.51 117.42 2wdl n ALA 141 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2wdl n ALA 141 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2wdl n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 142 N 0.63 0.04 3.28 0.00 0.00 -1.24 -4.21 105.19 103.69 2wdl n GLY 142 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 2wdl n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdl s GLY 143 N 0.00 -0.17 -0.13 -0.02 0.00 -1.25 -4.48 107.32 101.28 2wdl s GLY 143 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 44.72 44.68 2wdl s GLY 143 CO 0.00 -0.42 1.15 -2.21 0.00 0.00 0.00 173.10 171.62 2wdl n GLU 144 N -0.11 1.14 -1.47 2.90 2.13 -1.26 -4.54 120.64 119.42 2wdl n GLU 144 Ca -0.16 -2.54 -0.51 0.00 0.66 0.00 0.00 57.16 54.61 2wdl n GLU 144 Cb 0.63 -1.33 -0.07 0.00 0.27 0.00 0.00 31.44 30.94 2wdl n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wdl n PRO 145 N -1.09 1.12 0.00 5.31 -0.02 -1.24 -4.78 135.00 134.31 2wdl n PRO 145 Ca 0.14 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2wdl n PRO 145 Cb 0.68 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2wdl n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wdl n VAL 146 N 6.91 0.00 0.00 -1.45 3.14 -1.26 -1.29 118.33 124.38 2wdl n VAL 146 Ca 0.39 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 2wdl n VAL 146 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 2wdl n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wdl n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.69 117.00 125.54 2wdl n LEU 147 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 2wdl n LEU 147 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2wdl n LEU 147 CO 0.00 0.00 -0.21 0.18 -1.11 0.00 0.00 177.39 176.25 2wdl n LEU 148 N 0.00 0.00 -0.52 -1.96 4.77 -1.26 -4.81 117.00 113.22 2wdl n LEU 148 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2wdl n LEU 148 Cb 0.00 -3.40 0.00 0.00 -2.33 0.00 0.00 43.42 37.69 2wdl n LEU 148 CO 0.00 -2.50 -0.07 -0.62 -1.33 0.00 0.00 177.39 172.87 2wdl n GLU 149 N -3.69 -0.78 0.00 3.23 -0.58 -1.26 -5.13 120.64 112.43 2wdl n GLU 149 Ca 0.01 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 2wdl n GLU 149 Cb 0.51 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 2wdl n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65